2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane

C15H20O6 — CID 118245779

IUPAC2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
SMILESCOc1cc(COCC2CO2)cc(OC)c1OCC1CO1
InChIInChI=1S/C15H20O6/c1-16-13-3-10(5-18-6-11-7-19-11)4-14(17-2)15(13)21-9-12-8-20-12/h3-4,11-12H,5-9H2,1-2H3
InChIKeyZEPZRDDZCIGIBN-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.40
Rot. Bonds9

About 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane

2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane (PubChem CID 118245779) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
PubChem CID118245779
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
SMILESCOc1cc(COCC2CO2)cc(OC)c1OCC1CO1
InChIInChI=1S/C15H20O6/c1-16-13-3-10(5-18-6-11-7-19-11)4-14(17-2)15(13)21-9-12-8-20-12/h3-4,11-12H,5-9H2,1-2H3
InChIKeyZEPZRDDZCIGIBN-UHFFFAOYSA-N
XLogP1.40
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane
CID 97180114
(2S)-2-[(2,4,5-trimethoxyphenyl)methoxymethyl]oxirane
CID 97180099
2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane
CID 145103096
[3-[5-(hydroxymethyl)-2-(oxiran-2-ylmethoxy)-3-sulfanyloxyphenyl]-5-methoxy-4-(oxiran-2-ylmethoxy)phenyl]methanol
CID 166921870
(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
CID 177209420
(1E,4E)-1,5-bis[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one
CID 102029680
2-[(3,4,5-trimethoxyphenyl)methyl]oxirane
CID 12052944
3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]propyl 2,2-dimethylpropanoate
CID 170181346
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane
CID 164766765
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
1-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]-4,4-dimethylpent-1-en-3-one
CID 139727215

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane (CID 118245779) is 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane is COc1cc(COCC2CO2)cc(OC)c1OCC1CO1.
What is the InChIKey of 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane?
The InChIKey is ZEPZRDDZCIGIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-16-13-3-10(5-18-6-11-7-19-11)4-14(17-2)15(13)21-9-12-8-20-12/h3-4,11-12H,5-9H2,1-2H3.
What are the key properties of 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane?
2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane has a molecular weight of 296.32 g/mol, XLogP of 1.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 118245779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).